5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Openeye Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-2-[3-(1-piperidin-1-iumyl)propylamino]-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Traditional Name: 5-(4-ethoxybenzyl)-6-keto-2-(3-piperidin-1-ium-1-ylpropylamino)-1H-pyrimidin-4-olate Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCC[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C21H30N4O3/c1-2-28-17-9-7-16(8-10-17)15-18-19(26)23-21(24-20(18)27)22-11-6-14-25-12-4-3-5-13-25/h7-10H,2-6,11-15H2,1H3,(H3,22,23,24,26,27)